2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-1-[(E)-3-(2-methoxyphenyl)allyl]-3-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[(2R)-3-keto-1-[(E)-3-(2-methoxyphenyl)allyl]piperazin-2-yl]acetic acid Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CCN2CCNC(=O)C2CC(=O)O

Isomeric SMILES

COC1=CC=CC=C1/C=C/CN2CCNC(=O)[C@H]2CC(=O)O

InChI

InChI=1S/C16H20N2O4/c1-22-14-7-3-2-5-12(14)6-4-9-18-10-8-17-16(21)13(18)11-15(19)20/h2-7,13H,8-11H2,1H3,(H,17,21)(H,19,20)/b6-4+/t13-/m1/s1